2-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid Openeye Name: 2-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-pyridyl)-1H-pyrrole-3-carboxylic acid CAS Name: 2-[4-(4-methyl-1-piperazinyl)phenyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid Traditional Name: 2-[4-(4-methylpiperazino)phenyl]-5-(4-pyridyl)-1H-pyrrole-3-carboxylic acid Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=C(N3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=C(N3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C21H22N4O2/c1-24-10-12-25(13-11-24)17-4-2-16(3-5-17)20-18(21(26)27)14-19(23-20)15-6-8-22-9-7-15/h2-9,14,23H,10-13H2,1H3,(H,26,27)